Geometry & MOs

Info

ID:	187053
PubChem CID:	77526477
Reduced:	BrNO4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	545.181224
ΔH_f, kcal/mol:	-157.87
Dipole, Da:	3.8
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-methylbutyl)-2-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-2-(3,5-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C2=C(C=C1C)N=C(C=C2)CO)Br)OC(C)(C)C

DOS

IR

Vibrations